N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide

C18H18N2O2 — CID 166250399

IUPACN-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide
SMILESCC(=O)c1cnccc1NC(=O)CC1(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O2/c1-13(21)15-12-19-10-7-16(15)20-17(22)11-18(8-9-18)14-5-3-2-4-6-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyQJSYXXCCNDSKOD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.34
Rot. Bonds5

About N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide

N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide (PubChem CID 166250399) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide
PubChem CID166250399
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide
SMILESCC(=O)c1cnccc1NC(=O)CC1(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O2/c1-13(21)15-12-19-10-7-16(15)20-17(22)11-18(8-9-18)14-5-3-2-4-6-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyQJSYXXCCNDSKOD-UHFFFAOYSA-N
XLogP3.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-phenylcyclohexyl)acetyl]amino]benzamide
CID 18449632
N-(5-methyl-1H-pyrazol-3-yl)-2-(1-phenylcyclopropyl)acetamide
CID 167932932
N-(2-aminophenyl)-2-(1-phenylcyclohexyl)acetamide
CID 18449743
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
N-(4-methyl-3-pyridinyl)-2-[1-(3-sulfamoylphenyl)cyclobutyl]acetamide
CID 154704132
N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide
CID 123325435
N-(4-methyl-3-pyridinyl)-2-[(1-phenylcyclohexyl)amino]acetamide
CID 154725397
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81156249
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide?
The IUPAC name of N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide (CID 166250399) is N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide.
What is the SMILES notation for N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide?
The canonical SMILES for N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide is CC(=O)c1cnccc1NC(=O)CC1(c2ccccc2)CC1.
What is the InChIKey of N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide?
The InChIKey is QJSYXXCCNDSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)15-12-19-10-7-16(15)20-17(22)11-18(8-9-18)14-5-3-2-4-6-14/h2-7,10,12H,8-9,11H2,1H3,(H,19,20,22).
What are the key properties of N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide?
N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-pyridinyl)-2-(1-phenylcyclopropyl)acetamide is sourced from PubChem (CID 166250399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).